1-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azepan-2-one

C18H25NO3 — CID 67904387

IUPAC1-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azepan-2-one
SMILESCOc1cc2c(cc1OC)CC(N1CCCCCC1=O)CC2
InChIInChI=1S/C18H25NO3/c1-21-16-11-13-7-8-15(10-14(13)12-17(16)22-2)19-9-5-3-4-6-18(19)20/h11-12,15H,3-10H2,1-2H3
InChIKeyYKAZHUZQHZNOMV-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.96
Rot. Bonds3

About 1-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azepan-2-one

1-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azepan-2-one (PubChem CID 67904387) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azepan-2-one.

Molecular Properties

Compound Name1-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azepan-2-one
PubChem CID67904387
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azepan-2-one
SMILESCOc1cc2c(cc1OC)CC(N1CCCCCC1=O)CC2
InChIInChI=1S/C18H25NO3/c1-21-16-11-13-7-8-15(10-14(13)12-17(16)22-2)19-9-5-3-4-6-18(19)20/h11-12,15H,3-10H2,1-2H3
InChIKeyYKAZHUZQHZNOMV-UHFFFAOYSA-N
XLogP2.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azepan-2-one?
The IUPAC name of 1-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azepan-2-one (CID 67904387) is 1-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azepan-2-one.
What is the SMILES notation for 1-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azepan-2-one?
The canonical SMILES for 1-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azepan-2-one is COc1cc2c(cc1OC)CC(N1CCCCCC1=O)CC2.
What is the InChIKey of 1-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azepan-2-one?
The InChIKey is YKAZHUZQHZNOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-21-16-11-13-7-8-15(10-14(13)12-17(16)22-2)19-9-5-3-4-6-18(19)20/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 1-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azepan-2-one?
1-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azepan-2-one has a molecular weight of 303.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azepan-2-one is sourced from PubChem (CID 67904387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).